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Chemistry and Material Sciences naturally depend greatly on Synthesis as the initial stage for the existence of compounds and materials with desired behaviors, within the overall streamline of Design/Synthesis — Properties — Application/Function, and their relations. Such a general approach is of a too wide scope to be properly treated in a single set of publications, but this one on'Synthesis and Applications in Chemistry and Materials'restricts itself by aiming to show the strength and international character of the current research in synthetic chemistry that is being developed in Portugal or abroad by teams that cooperate with this country. Hence, it gathers representative contributions of main Portuguese research groups and foreign collaborating ones. Nevertheless, the topic should be understood in a wide sense, being open to types of studies with significance on sustainable synthesis and applications in chemistry, materials and/or related sciences.

Recent Advances in Organometallic Chemistry: Synthetic, Mechanistic and Medicinal Perspective highlights recent advancements in the field of organometallic chemistry. Containing essential information for researchers and advanced-level students, especially those working in chemical synthesis, the book describes the role of organometallic compounds in different combinations in organic synthesis and pharmaceuticals as well as discussing spectral, magnetic and sensing features of the compounds. Including the role of computational investigations towards the mechanistic study of biomimic complexes in catalytic transformation reactions, the book provides a large number of examples along with their leading applications in other fields.Each chapter covers basic strategies, which are illustrated along with examples of the latest advancements in the field and in-depth explanations. - Covers the basics of bonding, synthesis and properties of organometallic compounds - Includes the role of computational chemistry and magnetochemistry - Features recent developments with examples and applications

This book constitutes the post-conference proceedings of the 25th International Conference on Data Analytics and Management in Data Intensive Domains, DAMDID/RCDL 2023, held in Moscow, Russia, during 24-27 October 2023. The 21 papers presented here were carefully reviewed and selected from 75 submissions. These papers are organized in the following topical sections: Data Models and Knowledge Graphs; Databases in Data Intensive Domains; Machine learning methods and applications; Data Analysis in Astronomy & Information extraction from text. Papers from keynote talks have also been included in this book.

The book is a source of fundamental knowledge about the structure of the periodic system of elements and consistently explains both the basic information about all chemical elements and the patterns of changes in their properties in it. Throughout history, attempts have been made repeatedly to systematize chemical elements in order to find certain regularities, but these attempts have not always been successful. Eventually, the form of the periodic table proposed by D.I. Mendeleev became the most common and accepted, which is still used today. It is known that chemical elements are located in the periodic system according to certain patterns, taking into account the charge of the atomic nucleus, atomic mass, electronegativity, ionization energy, the metallic nature of the element and the basicity of oxides. Understanding the trends in these characteristics in the periodic system allows you to predict the properties of a particular element and also provide for the course of certain chemical reactions. The special feature of the book is that it describes the astrophysics of elements, and also provides basic information about reactions that take place in stars or interstellar space. The book is not overloaded with chemical equations, so it is suitable for those who want to acquire fundamental knowledge about the elements, as well as for those who want to expand their horizons.

Authoritative resource showcasing a new family of ligands that can lead to better catalysts and promising applications in organic synthesis Redox-Active Ligands gives a comprehensive overview of the unique features of redox-active ligands, describing their structure and synthesis, the characterization of their coordination complexes, and important applications in homogeneous catalysis. The work reflects the diversity of the subject by including ongoing research spanning coordination chemistry, organometallic chemistry, bioinspired catalysis, proton and electron transfer, and the ability of such ligands to interact with early and late transition metals, lanthanides, and actinides. The book is divided into three parts, devoted to introduction and concepts, applications, and case studies. After the introduction on key concepts related to the field, and the different types of ligands and complexes in which ligand-centered redox activity is commonly observed, mechanistic and computational studies are described. The second part focuses on catalytic applications of redox-active complexes, including examples from radical transformations, coordination chemistry and organic synthesis. Finally, case studies of redox-active guanidine ligands, and of lanthanides and actinides are presented. Other specific sample topics covered include: An overview of the electronic features of redox-active ligands, covering their historical perspective and biological backgroundThe versatility and mode of action of redox-active ligands, which sets them apart from more classic and tunable ligands such as phosphines or N-heterocyclic carbenesPreparation and catalytic applications of complexes of stable N-aryl radicals Metal complexes with redox-active ligands in H+/e- transfer transformations By providing up-to-date information on important concepts and applications, Redox-Active Ligands is an essential reading for researchers working in organometallic and coordination chemistry, catalysis, organic synthesis, and (bio)inorganic chemistry, as well as newcomers to the field.

This book describes the state-of-the-art of chemoinformatics, bioinformatics, materials informatics and measurement/metrology informatics to develop drugs with desired activity or physicochemical properties and to optimize the functionality, efficacy, safety and quality of the compounds for drugs. Recently,'AI drug discovery', drug discovery research utilizing artificial intelligence technology such as machine learning, has attracted much attention. This book provides an overview of the four applied informatics fields and their applications in drug development for a wide spectrum of readers from learners to professional scientists in academia and industry. It focuses on the basic research stage of drug development with contributions from experts at the forefront of these fields. The authors hope that this book will be of assistance to explore new opportunities for collaboration between pharmaceutical science and informatics.

Organic LEDs (OLEDs) in mobile displays have been in large-scale production for over a decade, and OLED-based televisions are rapidly gaining traction in the marketplace. OLEDs are on the verge of entering the solid-state lighting market in a big way. The OLED technology gives higher color purity and is more efficient than any of the competing technologies. When produced at scale, OLEDs are also economical. A key limitation in the development of OLEDs was the efficient conversion of all of the electrical energy put into the device into light. Until the late 1990s, the maximum efficiency of OLEDs was limited to 25% (photons/electrons), but this limitation was removed and OLEDs with 100% efficiency were reported in the early 2000s. This advance in OLED technology was driven by the author of this book. He and his collaborators developed electrophosphorescence, which is essential in reaching the 100% efficiency that is now commonplace in commercial devices.

Zinc: Early Development, Applications, and Emerging Trends is a comprehensive book covering various aspects of the metallic element zinc that has a significant role in the growth and survival of humans. The United Nations Organization has aptly declared it as a ‘Life-Saving Material'since it helps in overcoming infections and strengthening the immune system. Zinc is an essential element next to iron, aluminum, and copper with abundant presence in nature, and is worth billions of dollars commercially. Besides the metal, its compounds and nanoparticles have also become attractive to researchers due to their enormous applications. The industrial and agricultural uses of the metal and its compounds are widespread.An exclusive book covering all important aspects of zinc is yet to hit the market. This book, with contributions from experts in geology, chemistry, medicine (including dentistry and traditional systems), agriculture, veterinary science, biology, bioinformatics, and nanotechnology encompassing the latest developments in their fields related to zinc, fills this void. The uniqueness of the book is its interdisciplinary nature and potential use by researchers, students, and teachers of various specialties.Features: Contributes to a better understanding of the complexities of zinc's role in various branches of science Contains basic and practical information for a wider audience and researchers of different fields besides those interested in zinc Provides detailed information on the usefulness of zinc in prophylaxis and treatment of diseases in modern medicine, dentistry, and traditional systems such as Ayurveda, Siddha, and Unani, as well as veterinary medicine Highlights zinc's role in agriculture and food science with various crops and nutritive materials Includes chapters on fast-growing areas – nanotechnology and bioinformatics

Around a quarter of the world's population is affected by iron deficiency, and women of childbearing age as well as children and adolescents are considered a particular risk group. This reference book deals with the latest scientific findings concerning the iron supply of the human organism with natural foods. It dispels the misconception that plant iron is less valuable than animal iron by presenting the absorption of iron from plant foods via a newly discovered metabolic pathway. From this, new points of view can be derived for vegetarians and vegans, who until now have belonged to the risk group. Furthermore, it is dedicated to forward-looking possibilities of diagnosing iron deficiency and describes modern concepts for determining the bioavailability of iron in food. New findings on the biochemistry of iron in brain metabolism, the description of the different reference values of the international professional societies and practical advice for special diets, risk groups and age groups as well as cooking recipes with simple information on iron intake complete the work. The book is aimed at nutritionists and medical practitioners, nutrition and food scientists, dieticians, pharmacists and sports scientists.

Inorganic Chemistry in Germany, Volume 82 in the Advances in Inorganic Chemistry series, highlights advances in the field, with this new volume presenting chapters written by an international board of authors. Specific chapters focus on Cooperative effects in bimetallic and multimetallic complexes, Harnessing transition metal nitrido complexes for challenging bond activation reactions and catalysis, Applications of N-heterocyclic carbene-pnictogen compounds in transition metal chemistry and homogeneous catalysis, Aminopyridinato ligands – from quintuple bonding via hydrogen storage to selective olefin syntheses, Multifunctional Perspectives of Metal-Organic Frameworks, Recent advances in low valent silicon chemistry, Recent developments in CO2 reduction by aluminum and silicon compounds, and much more. - Provides the authority and expertise of leading contributors from an international board of authors - Presents the latest release in Advances in Inorganic Chemistry series - Updated release includes the latest information on Inorganic Chemistry in Germany

The Chemistry of Complex Compounds is ideally prepared in this textbook for undergraduate chemistry students, providing both an easy and comprehensive introduction to the subject, which is relevant to examinations. It is based on proven lecture notes and assumes no basic knowledge. In addition to basic questions such as'what are complexes'and'what are organometallic compounds', the common bonding models are presented and the colour and stability of coordination compounds are explained, among other things. Other chapters cover redox reactions in complexes, the metal-metal bond, molecular magnetism, supramolecular chemistry, and bioinorganic chemistry. As a conclusion, the book gives an outlook into current research areas and trends in coordination chemistry, so that students of higher semesters and PhD students will also benefit from reading it. This includes the luminescence of complexes and selected examples of reactions catalyzed by complexes. Birgit Weber is a professor of inorganic chemistry at the University of Bayreuth. Her research focuses on coordination chemistry and ligand design for multifunctional switchable complexes.

Bioinorganic chemistry is an interdisciplinary research field which centers on metals in biology. Over the past few decades, advances in chemistry, biology as well as in spectroscopic methods have shed light on the role of copper in human pathologies and allowed the growing discovery of copper-containing biological systems. Following this trend, much effort is being constantly chanelled towards understanding these fundamental biological processes or enzymes. In addition, chemists are developing molecules to target copper or copper enzymes as therapeutic tools. On the other hand, inspired by the function of biological systems, small molecular weight complexes inspired by the active site of copper enzymes are being prepared and studied. These bioinspired complexes can function both as mechanistic tools and as functional catalysts for oxidative transformations.The seven chapters in this book, contributed by internationally recognized authors cover recent developments on these aspects illustrated by interdisciplinary fields from biology, chemistry, spectroscopy to bioinspired catalysis. It contains aspects ranging from human health issues (copper homeostasis in bacteria and the development of molecules as anticancer or antibacterial agents) to bioinspired catalysis.

Comprehensive Organometallic Chemistry, Fifteen Volume Set is the market-leading resource covering all areas of this critical sub-discipline of chemistry. Divided into 15 clear sections, it provides expert coverage of the synthesis, structures, bonding and reactivity of all organometallic compounds, including the mechanisms of the reactions. Applications of organometallic chemistry, such as the role of these compounds as reagents and catalysts for organometallic transformations, and their participation in bioorganometallic chemistry, is then covered. This is a vibrant area, as illustrated by the fact that the 2001, 2005 and 2010 Nobel prizes in Chemistry are all concerned with organometallic chemistry. This new edition will therefore again provide an invaluable and efficient learning resource for all researchers and educators looking for up-to-date analysis of a particular aspect of organometallic chemistry. - Comprehensive – CHEC IV will offer a comprehensive review of current heterocycles research and critical insight into the future direction of the field with an emphasis on useful and reliable synthesis and reactions, negating the need for individual searches in the primary literature and across various databases - Reputation – The 4th edition will match the impressive reputation of the previous editions as the go-to foundational reference in heterocyclic chemistry - Clearly structured - Meticulously organized, articles are split into 15 sections on key topics and clearly cross-referenced to allow students, researchers and professionals to find relevant information quickly and easily - Interdisciplinary - chapters written by academics and practitioners from various fields and regions will ensure that the knowledge within is easily understood by and applicable to a large audience

Comprehensive Heterocyclic Chemistry IV provides a first point of entry for scientists interested in heterocyclic ring systems. Given the rapid expansion of publications in this field, this compilation of definitive reviews is especially important and invaluable. Written by leading scientists who have evaluated and summarized the most important data published over the last decade, this book is an invaluable addition to the reference library of anyone working with heterocyclic ring systems. Spanning 14 volumes, over 13,000 pages, and 240 chapters, this new edition builds on, and complements, the material in previous editions. This comprehensive resource is designed to be used both as a standalone resource and in conjunction with earlier works. Comprehensive – CHEC IV offers a comprehensive review of current heterocycles research and critical insight into the future direction of the field with an emphasis on useful and reliable synthesis and reactions, negating the need for individual searches in the primary literature and across various databases Reputation – This 4th edition matches the impressive reputation of the previous editions as the go-to foundational reference in heterocyclic chemistry Clearly structured - Meticulously organized, articles are split into 14 sections on key topics and clearly cross-referenced to allow students, researchers and professionals to find relevant information quickly and easily Interdisciplinary - chapters written by academics and practitioners from various fields and regions ensures that the knowledge within is easily understood by and applicable to a large audience

Chemistry shapes and creates the disposition of the world's resources and provides novel substances for the welfare and hazard of our civilisation at an exponential rate. Can we model the evolution of chemical knowledge? This book not only provides a positive answer to the question, it provides the formal models and available data to model chemical knowledge as a complex dynamical system based on the mutual interaction of the social, semiotic and material systems of chemistry. These systems, which have evolved over the history, include the scientists and institutions supporting chemical knowledge (social system); theories, concepts and forms of communication (semiotic system) and the substances, reactions and technologies (material system) central for the chemical practice. These three systems, which have traditionally been mostly studied in isolation, are brought together in this book in a grand historical narrative, on the basis of comprehensive data sets and supplemented by appropriate tools for their formal analysis. We thereby develop a comprehensive picture of the evolution of chemistry, needed for better understanding the past, present and future of chemistry as a discipline. The interdisciplinary character of this book and its non-technical language make it an ideal complement to more traditional material in undergraduate and graduate courses in chemistry, history of science and digital humanities.

This book constitutes the post-conference proceedings of the 23rd International Conference on Data Analytics and Management in Data Intensive Domains, DAMDID/RCDL 2021, held in Moscow, Russia, in October 2021•.The 16 revised full papers were carefully reviewed and selected from 61 submissions. The papers are organized in the following topical sections: problem solving infrastructures, experiment organization, and machine learning applications; data analysis in astronomy; data analysis in material and earth sciences; information extraction from text• The conference was held virtually due to the COVID-19 pandemic.

Rund ein Viertel der Weltbevölkerung ist von Eisenmangel betroffen, als besondere Risikogruppe gelten Frauen im gebärfähigen Alter sowie Kinder und Jugendliche. Das Fachbuch beschäftigt sich mit den neuesten wissenschaftlichen Erkenntnissen rund um die Eisenversorgung des menschlichen Organismus mit natürlichen Lebensmittel. Dabei räumt es mit dem Irrglauben auf, dass pflanzliches Eisen weniger wertvoll ist als tierisches Eisen, indem es die Eisenaufnahme aus pflanzlichen Lebensmitteln über einen neu entdeckten Stoffwechselweg vorstellt. Daraus lassen sich neue Gesichtspunkte für Vegetarier und Veganer ableiten, die bislang zur Risikogruppe zählten. Des Weiteren widmet es sich den vielfältigen Diagnosemöglichkeiten eines Eisenmangels und beschreibt gängige Methoden zur Bestimmung der Bioverfügbarkeit von Eisen in Lebensmitteln. Neue Erkenntnisse über die Biochemie des Eisens im Hirnstoffwechsel, die Wechselwirkung von Eisen mit anderen Spurenelementen sowie praktische Hinweise für besondere Ernährungsweisen, Risikogruppen und Altersklassen und Kochrezepte mit einfachen Angaben zur Eisenaufnahme komplettieren das Werk. Das Buch richtet sich an Ernährungs- und Allgemeinmediziner, Ernährungs- und Lebensmittelwissenschafter, Diätologen, Apotheker und Ernährungsberater.

This book presents experimental and numerical methods that have been developed during six years of targeted research within the DFG priority program SPP 1740, elucidating the interaction between hydrodynamics, mass transfer and transport as well as chemical reactions in bubbly flows. A special feature of this book is its focus on an interdisciplinary research approach with contributions from chemistry, mathematics and engineering sciences, providing enhanced or novel experimental methods, models and numerical simulations. This book provides fundamental knowledge to students about the current state of knowledge regarding transport processes in reactive bubbly flows as well as to scientists, emphasizing pressing research questions and further current demands for fundamental research. Engineers from the chemical industries will get valuable insights into relevant gas-liquid processes and benefit from recommendations concerning the design of gas-liquid reactors and laboratory experiments for studying the performance of gas-liquid reactions in their own lab.

Gas / liquid contact apparatuses are widely used in chemical, biochemical or pharmaceutical industry to provide and transfer gas species as reactant from the gaseous phase to pre-dissolved reactants in the liquid phase enabling a preferred reaction. The global and local transport are complex interlinked processes and therefore in practice in reactor design industry, mostly empirically correlated. For a secure control of the overall process and a more efficient reactor design, the local transport processes at gas / liquid interfaces need to be investigated in complexity reduced systems to be understood. Elongated bubbles, Taylor bubbles, in vertical channels 5.5 < D < 8 mm overcome the problem of dynamic shape deformation, complex 3D rise trajectories and they have a volume independent rise velocity, which make them the ideal experiment for reliable and reproducible investigations. Detailed optical measurements of global and local processes via high-speed Shadowgraphy, 2D2C PIV and p-2D LIF give new insights into the dependency of local bubble shape and global terminal rise velocity, establish a Sherwood correlation of shrinking CO2 bubbles in various channel sizes and shows the coupling of local transport phenomena at the bubble interface and the mixing in the wake region.

Comprehensive Coordination Chemistry III, Nine Volume Set describes the fundamentals of metal-ligand interactions, provides an overview of the systematic chemistry of this class of compounds, and details their importance in life processes, medicine, industry and materials science. This new edition spans across 9 volumes, 185 entries and 6600 printed pages. Comprehensive Coordination Chemistry III is not just an update of the second edition, it includes a significant amount of new content. In the descriptive sections 3-6, emphasis is placed upon material that has appeared in primary and secondary review literature since the previous edition published. The material in other sections is newly written, with an emphasis on modern aspects of coordination chemistry and the latest developments. The metal-ligand interaction is the link between the award of the 1913 Nobel Prize in Chemistry to Alfred Werner, the father of Coordination Chemistry, the 1987 prize for supramolecular chemistry and the 2016 award for molecular machines. The key role of coordination chemistry in the assembly of hierarchical nano- and micro-dimensioned structures lies at the core of these applications and so this Major Reference Work bridges several sub-disciplines of chemistry, thus targeting a truly interdisciplinary audience. - Provides the go-to foundational resource on coordination chemistry research, providing insights into future directions of the field - Written and edited by renowned academics and practitioners from various fields and regions this authoritative and interdisciplinary work is of interest to a large audience, including coordination, supramolecular and molecular chemists - Presents content that is clearly structured, organized and cross-referenced to allow students, researchers and professionals to find relevant information quickly and easily

Organic Reaction Mechanisms 2018, the 54th annual volume in this highly successful and unique series, surveys research on organic reaction mechanisms described in the available literature dated 2018. The following classes of organic reaction mechanisms are comprehensively reviewed: Reaction of Aldehydes and Ketones and their Derivatives Reactions of Carboxylic, Phosphoric, and Sulfonic Acids and their Derivatives Oxidation and Reduction Carbenes and Nitrenes Nucleophilic Aromatic Substitution Electrophilic Aromatic Substitution Carbocations Nucleophilic Aliphatic Substitution Carbanions and Electrophilic Aliphatic Substitution Elimination Reactions Polar Addition Reactions Cycloaddition Reactions Molecular Rearrangements Transition Metal Coupling Radical Reactions An experienced team of authors compile these reviews every year, so that the reader can rely on a continuing quality of selection and presentation.

The completely revised and updated, definitive resource for students and professionals in organic chemistry The revised and updated 8th edition of March's Advanced Organic Chemistry: Reactions, Mechanisms, and Structure explains the theories of organic chemistry with examples and reactions. This book is the most comprehensive resource about organic chemistry available. Readers are guided on the planning and execution of multi-step synthetic reactions, with detailed descriptions of all the reactions The opening chapters of March's Advanced Organic Chemistry, 8th Edition deal with the structure of organic compounds and discuss important organic chemistry bonds, fundamental principles of conformation, and stereochemistry of organic molecules, and reactive intermediates in organic chemistry. Further coverage concerns general principles of mechanism in organic chemistry, including acids and bases, photochemistry, sonochemistry and microwave irradiation. The relationship between structure and reactivity is also covered. The final chapters cover the nature and scope of organic reactions and their mechanisms. This edition: Provides revised examples and citations that reflect advances in areas of organic chemistry published between 2011 and 2017 Includes appendices on the literature of organic chemistry and the classification of reactions according to the compounds prepared Instructs the reader on preparing and conducting multi-step synthetic reactions, and provides complete descriptions of each reaction The 8th edition of March's Advanced Organic Chemistry proves once again that it is a must-have desktop reference and textbook for every student and professional working in organic chemistry or related fields.

In the context of this dissertation, methods were investigated that can contribute to a successful digitization strategy in experimental synthetic chemistry. Three areas were identified which could support a change in the current documentation and working methods. These are (1) the development of software for the processing of spectroscopic data and the comparison of the extracted results with the in silico predictions of the target compounds, (2) the generation of ML-based predictions for reaction control (reaction templates and reaction temperature) and (3) the automatic generation of reports from entries of an electronic laboratory journal. The work is a contribution to improve, facilitate, and accelerate scientific work in chemistry. Im Rahmen dieser Dissertation wurden Methoden untersucht, die zu einer erfolgreichen Digitalisierungsstrategie in der experimentellen synthetischen Chemie beitragen können. Es wurden drei Bereiche identifiziert, die hier insbesondere eine Veränderung der aktuellen Dokumentations- und Arbeitsweise unterstützen können. Dies sind (1) die Entwicklung von Software zur Bearbeitung von spektroskopischen Daten und dem Ableich der extrahierten Ergebnisse mit den in silico-Vorhersagen der Zielverbindungen, (2) die Generierung von ML-basierten Vorhersagen für die Reaktionsführung (Reaktionstemplates und Reaktionstemperatur) und (3) die automatische Erstellung von Berichten aus Einträgen eines elektronischen Laborjournals. Die entwickelten Modelle werden jeweils diskutiert und analysiert.

This book introduces various types of reactions to produce chemicals by the direct conversion of methane from the point of view of mechanistic and functional aspects. The chemicals produced from methane are aliphatic and aromatic hydrocarbons such as propylene and benzene, and methanol. These chemicals are created by using homogeneous catalysts, heterogeneous catalysts such as zeolites, and biocatalysts such as enzymes. Various examples of methane conversion reactions that are discussed have been chosen to illustrate how heterogeneous and homogenous catalysts and biocatalysts and/or their reaction environments control the formation of highly energetic species from methane contributing to C-C and C-O bond formation.

This textbook introduces the industrial production and processing of natural resources. It is divided into six major topics (fats and oils, carbohydrates, lignin, terpenoids, other natural products, biorefinery), which are divided into a total of 20 chapters.Each chapter is self-contained and therefore a compact learning unit, which can be worked on by students in self-study or presented by lecturers. Clear illustrations, flow diagrams, apparatus drawings and photos facilitate the understanding of the subject matter. All chapters end with a succinct summary, the'Take Home Messages'. Each chapter is supplemented by ten short test questions, which can be solved quickly after working through the chapter; the answers are at the end of the book. All chapters contain bibliographical references that focus on essential textbooks and reference works. As a prior knowledge, only basic knowledge of chemistry is required.

Advances in Organometallic Chemistry, Volume 74, the latest release in this longstanding serial, is known for its comprehensive coverage of topics in organometallic synthesis, reactions, mechanisms, homogeneous catalysis, and more. It is ideal for a wide range of researchers involved in organometallic chemistry, with this updated release including chapters on Metal dendrimers used in biomedical applications, Sigma-bond activation reactions induced by unsaturated osmium (IV) complexes with bulky phosphines, Base metal pincer complexes, and more. - Contains contributions from leading authorities in the field of organometallic chemistry - Covers topics in organometallic synthesis, reactions, mechanisms, homogeneous catalysis, and more - Informs and updates readers on the latest developments in the field - Carefully edited to provide easy-to-read material

The Advances in Inorganic Chemistry series, presents timely and informative summaries on current progress in a variety of subject areas. This acclaimed serial features reviews written by experts in the field, serving as an indispensable reference to advanced researchers that empowers readers to pursue new developments in each field. Users will find this to be a comprehensive overview of recent findings and trends from the last decade that covers various kinds of inorganic topics, from theoretical oriented supramolecular chemistry, to the quest for accurate calculations of spin states in transition metals. - Provides the authority and expertise of leading contributors from an international board of authors - Presents the latest release in the Advances in Inorganic Chemistry series - Includes the latest information on nanoscale coordination chemistry

This book focuses on the electronic properties of transition metals in coordination environments. These properties are responsible for the unique and intricate activity of transition metal sites in bio- and inorganic catalysis, but also pose challenges for both theoretical and experimental studies. Written by an international group of recognized experts, the book reviews recent advances in computational modeling and discusses their interplay using experiments. It covers a broad range of topics, including advanced computational methods for transition metal systems; spectroscopic, electrochemical and catalytic properties of transition metals in coordination environments; metalloenzymes and biomimetic compounds; and spin-related phenomena. As such, the book offers an invaluable resource for all researchers and postgraduate students interested in both fundamental and application-oriented research in the field of transition metal systems.

Selenium and Tellurium Reagents provides an in-depth overview of recent advances on the chemistry of these elements. Written by internationally recognized experts, it gives insight into the synthesis, structure, analysis and mechanistic studies of these compounds. The book is organized into four parts which reflect the applications of Se and Te reagents in four areas: inorganic chemistry, organic chemistry, materials science and biochemistry.

Undoubtedly the applications of polymers are rapidly evolving. Technology is continually changing and quickly advancing as polymers are needed to solve a variety of day-to-day challenges leading to improvements in quality of life. The Encyclopedia of Polymer Applications presents state-of-the-art research and development on the applications of polymers. This groundbreaking work provides important overviews to help stimulate further advancements in all areas of polymers.This comprehensive multi-volume reference includes articles contributed from a diverse and global team of renowned researchers. It offers a broad-based perspective on a multitude of topics in a variety of applications, as well as detailed research information, figures, tables, illustrations, and references. The encyclopedia provides introductions, classifications, properties, selection, types, technologies, shelf-life, recycling, testing and applications for each of the entries where applicable.It features critical content for both novices and experts including, engineers, scientists (polymer scientists, materials scientists, biomedical engineers, macromolecular chemists), researchers, and students, as well as interested readers in academia, industry, and research institutions.

Computational Chemistry, Volume 73, the latest release in the Advances in Inorganic Chemistry series, presents timely and informative summaries on current progress in a variety of subject areas. This acclaimed serial features reviews written by experts in the field, serving as an indispensable reference to advanced researchers that empowers readers to pursue new developments in each field. Users will find this to be a comprehensive overview of recent findings and trends from the last decade that covers various kinds of inorganic topics, from theoretical oriented supramolecular chemistry, to the quest for accurate calculations of spin states in transition metals. - Features comprehensive reviews on the latest developments in computational studies in inorganic chemistry - Includes contributions from leading experts in the field of inorganic reaction mechanisms - Serves as an indispensable reference to advanced researchers in many related fields

The observation of Nature is an inexhaustible source of inspiration to promote innovations in chemistry. The bioinspired approach is a revolution in our paradigms because it is not based on what we can take to nature, but on what we can learn from it. Enzymatic systems involved in solar energy conversion (photosystem), hydrogen production (hydrogenases), dioxygen activation (oxydases et oxygenases), CO₂ reduction (CO dehydrogenase) use abundant and cheap starting material such as O₂, H₂O and CO₂. Inspiration of these biological systems is a solution to make our chemical processes greener. These are some of the many challenges that bioinspired chemistry is able to take up.A number of the recent developments in bioinspired chemistry are discussed, including some descriptions on the biological systems that are the source of inspiration. This book is a guide to where bioinspired chemistry will be in the near future and provides a thoughtful perspective on how bioinspiration could change our world.

Gases have to be specifically mixed with a continuous liquid phase to perform a reaction with high yield and selectivity. The time scales of mixing are determined by the transport processes in the boundary layer close to the phase boundary and by bubble swarm turbulence. For clarification of the local mass transfer in bubbly flows, an experimental setup is developed and successfully used to investigate single rectilinear (spherical), helical (ellipsoid) and irregular rising bubbles with and without chemical reaction. Therefore, the time resolved scanning laser induced fluorescence technique is further developed and applied for the first time to bubbly flows to allow new insights in the mass transfer processes.

This book consists of eight chapters, five of which provide a summary of the tutorials and workshops organised as part of the cHiPSet Summer School: High-Performance Modelling and Simulation for Big Data Applications Cost Action on “New Trends in Modelling and Simulation in HPC Systems,” which was held in Bucharest (Romania) on September 21–23, 2016. As such it offers a solid foundation for the development of new-generation data-intensive intelligent systems. Modelling and simulation (MS) in the big data era is widely considered the essential tool in science and engineering to substantiate the prediction and analysis of complex systems and natural phenomena. MS offers suitable abstractions to manage the complexity of analysing big data in various scientific and engineering domains. Unfortunately, big data problems are not always easily amenable to efficient MS over HPC (high performance computing). Further, MS communities may lack the detailed expertise required to exploit the full potential of HPC solutions, and HPC architects may not be fully aware of specific MS requirements. The main goal of the Summer School was to improve the participants'practical skills and knowledge of the novel HPC-driven models and technologies for big data applications. The trainers, who are also the authors of this book, explained how to design, construct, and utilise the complex MS tools that capture many of the HPC modelling needs, from scalability to fault tolerance and beyond. In the final three chapters, the book presents the first outcomes of the school: new ideas and novel results of the research on security aspects in clouds, first prototypes of the complex virtual models of data in big data streams and a data-intensive computing framework for opportunistic networks. It is a valuable reference resource for those wanting to start working in HPC and big data systems, as well as for advanced researchers and practitioners.

This book reports on new theories and applications in the field of intelligent systems and computing. It covers computational and artificial intelligence methods, as well as advances in computer vision, current issues in big data and cloud computing, computation linguistics, and cyber-physical systems. It also reports on data mining and knowledge extraction technologies, as well as central issues in intelligent information management. Written by active researchers, the respective chapters are based on papers presented at the International Conference on Computer Science and Information Technologies (CSIT 2017), held on September 5–8, 2017, in Lviv, Ukraine; and at two workshops accompanying the conference: one on inductive modeling, jointly organized by the Lviv Polytechnic National University and the National Academy of Science of Ukraine; and another on project management, which was jointly organized by the Lviv Polytechnic National University, the International Project Management Association, the Ukrainian Project Management Association, the Kazakhstan Project Management Association, and Nazarbayev University. Given its breadth of coverage, the book provides academics and professionals with extensive information and a timely snapshot of the field of intelligent systems, and is sure to foster new discussions and collaborations among different groups.

The series Advances in Polymer Science presents critical reviews of the present and future trends in polymer and biopolymer science. It covers all areas of research in polymer and biopolymer science including chemistry, physical chemistry, physics, material science.The thematic volumes are addressed to scientists, whether at universities or in industry, who wish to keep abreast of the important advances in the covered topics.Advances in Polymer Science enjoys a longstanding tradition and good reputation in its community. Each volume is dedicated to a current topic, and each review critically surveys one aspect of that topic, to place it within the context of the volume. The volumes typically summarize the significant developments of the last 5 to 10 years and discuss them critically, presenting selected examples, explaining and illustrating the important principles, and bringing together many important references of primary literature. On that basis, future research directions in the area can be discussed. Advances in Polymer Science volumes thus are important references for every polymer scientist, as well as for other scientists interested in polymer science - as an introduction to a neighboring field, or as a compilation of detailed information for the specialist.Review articles for the individual volumes are invited by the volume editors. Single contributions can be specially commissioned.Readership: Polymer scientists, or scientists in related fields interested in polymer and biopolymer science, at universities or in industry, graduate students

Sustainable development is a very prevalent concept of modern society. This concept has appeared as a critical force in combining a special focus on development and growth by maintaining a balance of using human resources and the ecosystem in which we are living. The development of new and advanced materials is one of the powerful examples in establishing this concept. Green and sustainable advanced materials are the newly synthesized material or existing modified material having superior and special properties. These fulfil today's growing demand for equipment, machines and devices with better quality for an extensive range of applications in various sectors such as paper, biomedical, textile, and much more. Volume 1 gives overviews on a variety of topics of characterization of green and sustainable advanced materials including biopolymers, biocomposites, nanomaterials, polymeric materials, green functional textiles materials and hybrid materials, as well as processing chapters on the design and process aspects of nanofabrication.

This outstanding thesis describes a detailed investigation into the use of low-oxidation-state group 14 complexes in catalysis, developed at the cutting edge of inorganic and organometallic chemistry. It includes the preparation of a number of landmark compounds, some of which challenge our current understanding of metal–metal bonding and low-oxidation-state main group chemistry. Among the many highlights of this thesis, the standout result is the development of the first well-defined, low- oxidation-state main group hydride systems as highly efficient catalysts in the hydroboration of carbonyl substrates, including carbon dioxide, which are as efficient as those observed in more traditional, transition-metal catalyses. These results essentially define a new subdiscipline of chemistry.

The series Topics in Heterocyclic Chemistry presents critical reviews on present and future trends in the research of heterocyclic compounds. Overall the scope is to cover topics dealing with all areas within heterocyclic chemistry, both experimental and theoretical, of interest to the general heterocyclic chemistry community. The series consists of topic related volumes edited by renowned editors with contributions of experts in the field. All chapters from Topics in Heterocyclic Chemistry are published Online First with an individual DOI. In references, Topics in Heterocyclic Chemistry is abbreviated as Top Heterocycl Chem and cited as a journal

This book constitutes the proceedings of the workshops of the 23rd International Conference on Parallel and Distributed Computing, Euro-Par 2016, held in Grenoble, France in August 2016. The 65 full papers presented were carefully reviewed and selected from 95 submissions. The volume includes the papers from the following workshops: Euro-EDUPAR (Second European Workshop on Parallel and Distributed Computing Education for Undergraduate Students) – HeteroPar 2016 (the 14th International Workshop on Algorithms, Models and Tools for Parallel Computing on Heterogeneous Platforms) – IWMSE (5th International Workshop on Multicore Software Engineering) – LSDVE (Fourth Workshop on Large-Scale Distributed Virtual Environments) - PADABS (Fourth Workshop on Parallel and Distributed Agent-Based Simulations) – PBio (Fourth International Workshop on Parallelism in Bioinformatics) – PELGA (Second Workshop on Performance Engineering for Large-Scale Graph Analytics) – REPPAR (Third International Workshop on Reproducibility in Parallel Computing) – Resilience (9th Workshop in Resilience in High Performance Computing in Clusters, Clouds, and Grids) – ROME (Fourth Workshop on Runtime and Operating Systems for the Many-Core Era) – UCHPC (9th Workshop on UnConventional High-Performance Computing).

The series Topics in Current Chemistry Collections presents critical reviews from the journal Topics in Current Chemistry organized in topical volumes. The scope of coverage is all areas of chemical science including the interfaces with related disciplines such as biology, medicine and materials science. The goal of each thematic volume is to give the non-specialist reader, whether in academia or industry, a comprehensive insight into an area where new research is emerging which is of interest to a larger scientific audience.Each review within the volume critically surveys one aspect of that topic and places it within the context of the volume as a whole. The most significant developments of the last 5 to 10 years are presented using selected examples to illustrate the principles discussed. The coverage is not intended to be an exhaustive summary of the field or include large quantities of data, but should rather be conceptual, concentrating onthe methodological thinking that will allow the non-specialist reader to understand the information presented. Contributions also offer an outlook on potential future developments in the field.

Tropical Diseases: An Overview of Major Diseases Occurring in the Americas offers an overview of neglected tropical diseases found in the Americas. Information in the book addresses the understanding of challenges faced in controlling these diseases and brings new insight on many important aspects of these diseases. Chapters of this volume explore many related topics, including epidemiological data, immune response and pathogenesis, and the current methods for diagnosis and treatment, thus providing a useful resource for readers (undergraduate, graduate and Ph.D. students as well as biologists and medical researchers).

Mit dieser Einführung in die faszinierende Welt der Metalloproteine lernen Chemiker, Biochemiker und Biotechnologen Mechanismen, Methoden und Modellvorstellungen der bioanorganischen Chemie kennen. In einer Synthese aus aktuellen Arbeiten an Metalloenzymzentren und den Grundlagen der Koordinationschemie führen die Autoren in dieses spannende und im Wortsinne komplexe Thema ein. Der erste Teil des Buches stellt anhand ausgewählter Metalloproteine dar, dass die Natur die koordinationschemischen Prinzipien'kennt'und in einer Weise nutzt, die vorbildhaft für die Entwicklung synthetischer Katalysatoren sein kann. Einige der verwendeten Konzepte werden in Einschüben näher beleuchtet. Der zweite Teil vermittelt die Grundlagen der verschiedenen instrumentellen Methoden für die Untersuchung von Metalloproteinen, von der Kristallographie über die Vielfalt an spektroskopischen Methoden (UV, Raman, Fluoreszenz, EPR, Mößbauer etc.) bis hin zu elektrochemischen und computerchemischen Methoden. Durch die Betonung der koordinationschemischen Grundlagen biochemischer Funktion ist dieses Lehrbuch eine wichtige Ergänzung zu den Standardlehrbüchern der Biochemie und der anorganischen Chemie. Der modulare Aufbau erleichtert dabei den Einsatz für unterschiedliche Lehrveranstaltungen und Studiengänge.

Inorganic Reaction Mechanisms, Volume 70 is the latest volume in the Advances in Inorganic Chemistry series that presents timely summaries of current progress in inorganic chemistry, ranging from bio-inorganic to solid state studies. Topics covered in this updated volume include The Kinetics and Mechanism of Complex Redox Reactions in Aqueous Solution: The Tools of the Trade, O-O Bond Activation in Cu and Fe-Based Coordination Complexes: Breaking it Makes the Difference, µ-Nitrido Diiron Phthalocyanine and Porphyrin Complexes: Unusual Structures With Interesting Catalytic Properties, and The Role of Nonheme Transition Metal-Oxo, -Peroxo and -Superoxo Intermediates in Enzyme Catalysis and Reactions of Bioinspired Complexes. This acclaimed serial features reviews written by experts in the field, serving as an indispensable reference to advanced researchers. Each volume contains an index and chapters are fully referenced. - Features comprehensive reviews on the latest developments in inorganic reaction mechanisms, a subfield of inorganic chemistry - Includes contributions from leading experts in the field of inorganic reaction mechanisms - Serves as an indispensable reference to advanced researchers in inorganic reaction mechanisms

The six-volume set LNCS 10404-10409 constitutes the refereed proceedings of the 17th International Conference on Computational Science and Its Applications, ICCSA 2017, held in Trieste, Italy, in July 2017. The 313 full papers and 12 short papers included in the 6-volume proceedings set were carefully reviewed and selected from 1052 submissions. Apart from the general tracks, ICCSA 2017 included 43 international workshops in various areas of computational sciences, ranging from computational science technologies to specific areas of computational sciences, such as computer graphics and virtual reality. Furthermore, this year ICCSA 2017 hosted the XIV International Workshop On Quantum Reactive Scattering. The program also featured 3 keynote speeches and 4 tutorials.

The completely revised third edition of this four-volume classic is fully updated and now includes such topics as as CH-activation and multicomponent reactions. It describes the most important reaction types, new methods and recent developments in catalysis. The internationally renowned editors and a plethora of international authors (including Nobel laureate R. Noyori) guarantee high quality content throughout the book. A'must read'for everyone in academia and industry working in this field.

Helmut Werner, selbst ein anerkannter Anorganiker, beleuchtet in seinem Buch die Entwicklung der anorganischen Chemie in Deutschland von den ersten wirklich wissenschaftlichen Schritten im frühen 19. Jahrhundert bis hin zu den modernen Forschungsthemen des beginnenden 21. Jahrhunderts. Dabei stehen stets die Wissenschaftler im Vordergrund, die mit ihren Leistungen und Schwerpunktsetzungen die wissenschaftliche Landschaft über ihren Tod hinaus geprägt haben. Dem Autor gelingt es so, die Geschichte einer Wissenschaft lebendig werden zu lassen.

Topological insulators (TIs) are a class of materials, which are insulating in the bulk but exhibit conductive states at the edges. These states are spin-polarized, protected against non-magnetic perturbations, and exhibit a linear dispersion. Due to these “topological” features, topological insulators may decisively contribute to the construction of spintronic devices. This book summarizes the results of an experimental Ph.D. thesis which aimed at finding methods for tailoring TIs. The first part provides an introduction to the field of topological insulators and the applied measurement techniques: STM and ARPES. In the second part, four experiments are presented in which different strategies to tailor the edge states were exploited. For the prototypical topological insulator Bi2Se3, it is shown that stoichiometric variations enhance the isolation of the edge state from the bulk band structure. Also for Bi2Se3, a method was found to introduce magnetic atoms (Fe) to the vicinity of the edge state which avoids any band bending effect. Furthermore, it is shown how edge states can be moved away from the surface of a TI. Creating a rough surface forces the edge state of TlBiSe2 to shift into the bulk. Finally it is shown how growing a Bi bilayer on Bi2Se3 shifts the edge state further out of the TI, where it interacts with bilayer states. The presented experiments prove the topological nature of these edge states and its consequences. The methods applied for the manipulation may allow a tailoring of topological insulators for future technological applications based on the spin degrees of freedom.

Organic Reaction Mechanisms 2012, the 48th annual volume in this highly successful and unique series, surveys research on organic reaction mechanisms described in the available literature dated 2012. The following classes of organic reaction mechanisms are comprehensively reviewed: Reaction of Aldehydes and Ketones and their Derivatives Reactions of Carboxylic, Phosphoric, and Sulfonic Acids and their Derivatives Oxidation and Reduction Carbenes and Nitrenes Nucleophilic Aromatic Substitution Electrophilic Aromatic Substitution Carbocations Nucleophilic Aliphatic Substitution Carbanions and Electrophilic Aliphatic Substitution Elimination Reactions Polar Addition Reactions Cycloaddition Reactions Molecular Rearrangements An experienced team of authors compiled these reviews, ensuring the quality of selection and presentation.

The book describes the science gateway building technology developed in the SCI-BUS European project and its adoption and customization method, by which user communities, such as biologists, chemists, and astrophysicists, can build customized, domain-specific science gateways. Many aspects of the core technology are explained in detail, including its workflow capability, job submission mechanism to various grids and clouds, and its data transfer mechanisms among several distributed infrastructures.The book will be useful for scientific researchers and IT professionals engaged in the development of science gateways.